SCHEMBL9012345

SCHEMBL9012345

CC(=O)OCc1ccccc1C(=O)/N=C(\N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.44
TMPRSS11D O60235 6/20 0.41
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
XIAP P98170 1/20 0.39
PRSS1 P07477 4/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
CMA1 P23946 1/20 0.38
OPRM1 P35372 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9012333 0.91 F2 (0.41) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012328 0.91 F2 (0.41) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012145 0.89 F2 (0.47) F2TMPRSS11DF10PLGXIAP
SCHEMBL9012155 0.89 F2 (0.47) F2TMPRSS11DF10PLGXIAP
SCHEMBL9011948 0.88 F2 (0.48) F2TMPRSS11DF10PLGXIAP
SCHEMBL9012353 0.88 F2 (0.42) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9011943 0.87 F2 (0.51) F2TMPRSS11DF10PLGXIAP
SCHEMBL9011941 0.87 F2 (0.51) F2TMPRSS11DF10PLGXIAP
SCHEMBL9012134 0.85 F2 (0.51) F2TMPRSS11DF10PLGXIAP
SCHEMBL9012138 0.85 F2 (0.51) F2TMPRSS11DF10PLGXIAP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 EP claimed
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 EP disclosed